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Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'yannic-arnoult' and Initial = 's'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50029593
PNG
(CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against Prostaglandin G/H synthase 2 using osteosarcomes cells


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM22369
PNG
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11|
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for prostaglandin E2 inhibition using recombinant Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50110484
PNG
(3-((3-fluoro-5-(1-methoxycyclohexyl)phenoxy)methyl...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C29H29FN2O5S/c1-35-29(12-14-36-15-13-29)22-16-23(30)18-26(17-22)37-20-24-19-28(21-6-4-3-5-7-21)32(31-24)25-8-10-27(11-9-25)38(2,33)34/h3-11,16-19H,12-15,20H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against 5-lipoxygenase using granulocytes-type cells


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50110484
PNG
(3-((3-fluoro-5-(1-methoxycyclohexyl)phenoxy)methyl...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C29H29FN2O5S/c1-35-29(12-14-36-15-13-29)22-16-23(30)18-26(17-22)37-20-24-19-28(21-6-4-3-5-7-21)32(31-24)25-8-10-27(11-9-25)38(2,33)34/h3-11,16-19H,12-15,20H2,1-2H3
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n/an/a 50n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against Prostaglandin G/H synthase 2 using osteosarcomes cells


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50110483
PNG
(2-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-ph...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2nc(c(o2)S(N)(=O)=O)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C22H22F2N2O6S/c1-29-22(6-8-30-9-7-22)15-10-17(24)12-18(11-15)31-13-19-26-20(21(32-19)33(25,27)28)14-2-4-16(23)5-3-14/h2-5,10-12H,6-9,13H2,1H3,(H2,25,27,28)
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n/an/a<100n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for prostaglandin E2 inhibition using recombinant Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50110485
PNG
(5-(4-Chloro-phenyl)-3-[3-fluoro-5-(4-methoxy-tetra...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccc(Cl)cc3)n(n2)S(N)(=O)=O)c1
Show InChI InChI=1S/C22H23ClFN3O5S/c1-30-22(6-8-31-9-7-22)16-10-18(24)12-20(11-16)32-14-19-13-21(27(26-19)33(25,28)29)15-2-4-17(23)5-3-15/h2-5,10-13H,6-9,14H2,1H3,(H2,25,28,29)
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n/an/a<100n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for prostaglandin E2 inhibition using recombinant Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50110485
PNG
(5-(4-Chloro-phenyl)-3-[3-fluoro-5-(4-methoxy-tetra...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccc(Cl)cc3)n(n2)S(N)(=O)=O)c1
Show InChI InChI=1S/C22H23ClFN3O5S/c1-30-22(6-8-31-9-7-22)16-10-18(24)12-20(11-16)32-14-19-13-21(27(26-19)33(25,28)29)15-2-4-17(23)5-3-15/h2-5,10-13H,6-9,14H2,1H3,(H2,25,28,29)
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n/an/a 150n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase activity of compound evaluated as determined by the inhibition of calcium ionophore-induced leukotriene B4 production in...


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50110483
PNG
(2-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-ph...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2nc(c(o2)S(N)(=O)=O)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C22H22F2N2O6S/c1-29-22(6-8-30-9-7-22)15-10-17(24)12-18(11-15)31-13-19-26-20(21(32-19)33(25,27)28)14-2-4-16(23)5-3-14/h2-5,10-12H,6-9,13H2,1H3,(H2,25,27,28)
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n/an/a 300n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The 5-lipoxygenase activity of the compound was determined by the inhibition of calcium ionophore-induced leukotriene B4 production in human blood.


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50110483
PNG
(2-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-ph...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2nc(c(o2)S(N)(=O)=O)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C22H22F2N2O6S/c1-29-22(6-8-30-9-7-22)15-10-17(24)12-18(11-15)31-13-19-26-20(21(32-19)33(25,27)28)14-2-4-16(23)5-3-14/h2-5,10-12H,6-9,13H2,1H3,(H2,25,27,28)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for prostaglandin E2 inhibition using recombinant Prostaglandin G/H synthase 1


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50000541
PNG
((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...)
Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1
Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against 5-lipoxygenase using granulocytes-type cells


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50029593
PNG
(CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against Prostaglandin G/H synthase 1 using monocytes-like cells


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50110486
PNG
(3-Butyl-1-(4-methanesulfonyl-phenyl)-5-phenyl-1H-p...)
Show SMILES CCCCc1cc(-c2ccccc2)n(n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H22N2O2S/c1-3-4-10-17-15-20(16-8-6-5-7-9-16)22(21-17)18-11-13-19(14-12-18)25(2,23)24/h5-9,11-15H,3-4,10H2,1-2H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against 5-lipoxygenase using granulocytes-type cells


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50110481
PNG
(1-(4-Methanesulfonyl-phenyl)-5-phenyl-1H-pyrazole-...)
Show SMILES CCOC(=O)c1cc(-c2ccccc2)n(n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18N2O4S/c1-3-25-19(22)17-13-18(14-7-5-4-6-8-14)21(20-17)15-9-11-16(12-10-15)26(2,23)24/h4-13H,3H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against Prostaglandin G/H synthase 2 using osteosarcomes cells


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50110480
PNG
(CHEMBL166156 | [1-(4-Methanesulfonyl-phenyl)-5-phe...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1ccccc1
Show InChI InChI=1S/C17H16N2O3S/c1-23(21,22)16-9-7-15(8-10-16)19-17(11-14(12-20)18-19)13-5-3-2-4-6-13/h2-11,20H,12H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against Prostaglandin G/H synthase 2 using osteosarcomes cells


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50110481
PNG
(1-(4-Methanesulfonyl-phenyl)-5-phenyl-1H-pyrazole-...)
Show SMILES CCOC(=O)c1cc(-c2ccccc2)n(n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18N2O4S/c1-3-25-19(22)17-13-18(14-7-5-4-6-8-14)21(20-17)15-9-11-16(12-10-15)26(2,23)24/h4-13H,3H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against 5-lipoxygenase using granulocytes-type cells


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM22369
PNG
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11|
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against Prostaglandin G/H synthase 1 using monocytes-like cells


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50000541
PNG
((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...)
Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1
Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against Prostaglandin G/H synthase 1 using monocytes-like cells


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50110486
PNG
(3-Butyl-1-(4-methanesulfonyl-phenyl)-5-phenyl-1H-p...)
Show SMILES CCCCc1cc(-c2ccccc2)n(n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H22N2O2S/c1-3-4-10-17-15-20(16-8-6-5-7-9-16)22(21-17)18-11-13-19(14-12-18)25(2,23)24/h5-9,11-15H,3-4,10H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against Prostaglandin G/H synthase 2 using osteosarcomes cells


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50029593
PNG
(CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against 5-lipoxygenase using granulocytes-type cells


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50110480
PNG
(CHEMBL166156 | [1-(4-Methanesulfonyl-phenyl)-5-phe...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1ccccc1
Show InChI InChI=1S/C17H16N2O3S/c1-23(21,22)16-9-7-15(8-10-16)19-17(11-14(12-20)18-19)13-5-3-2-4-6-13/h2-11,20H,12H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against 5-lipoxygenase using granulocytes-type cells


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50110480
PNG
(CHEMBL166156 | [1-(4-Methanesulfonyl-phenyl)-5-phe...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1ccccc1
Show InChI InChI=1S/C17H16N2O3S/c1-23(21,22)16-9-7-15(8-10-16)19-17(11-14(12-20)18-19)13-5-3-2-4-6-13/h2-11,20H,12H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against Prostaglandin G/H synthase 1 using monocytes-like cells


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50110486
PNG
(3-Butyl-1-(4-methanesulfonyl-phenyl)-5-phenyl-1H-p...)
Show SMILES CCCCc1cc(-c2ccccc2)n(n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H22N2O2S/c1-3-4-10-17-15-20(16-8-6-5-7-9-16)22(21-17)18-11-13-19(14-12-18)25(2,23)24/h5-9,11-15H,3-4,10H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against Prostaglandin G/H synthase 1 using monocytes-like cells


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50110484
PNG
(3-((3-fluoro-5-(1-methoxycyclohexyl)phenoxy)methyl...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C29H29FN2O5S/c1-35-29(12-14-36-15-13-29)22-16-23(30)18-26(17-22)37-20-24-19-28(21-6-4-3-5-7-21)32(31-24)25-8-10-27(11-9-25)38(2,33)34/h3-11,16-19H,12-15,20H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against Prostaglandin G/H synthase 1 using monocytes-like cells


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50110482
PNG
(1-(4-Methanesulfonyl-phenyl)-3-methyl-5-phenyl-1H-...)
Show SMILES Cc1cc(-c2ccccc2)n(n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H16N2O2S/c1-13-12-17(14-6-4-3-5-7-14)19(18-13)15-8-10-16(11-9-15)22(2,20)21/h3-12H,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against Prostaglandin G/H synthase 1 using monocytes-like cells


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM22369
PNG
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11|
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against 5-lipoxygenase using granulocytes-type cells


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50110482
PNG
(1-(4-Methanesulfonyl-phenyl)-3-methyl-5-phenyl-1H-...)
Show SMILES Cc1cc(-c2ccccc2)n(n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H16N2O2S/c1-13-12-17(14-6-4-3-5-7-14)19(18-13)15-8-10-16(11-9-15)22(2,20)21/h3-12H,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against Prostaglandin G/H synthase 2 using osteosarcomes cells


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50110481
PNG
(1-(4-Methanesulfonyl-phenyl)-5-phenyl-1H-pyrazole-...)
Show SMILES CCOC(=O)c1cc(-c2ccccc2)n(n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18N2O4S/c1-3-25-19(22)17-13-18(14-7-5-4-6-8-14)21(20-17)15-9-11-16(12-10-15)26(2,23)24/h4-13H,3H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against Prostaglandin G/H synthase 1 using monocytes-like cells


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50000541
PNG
((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...)
Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1
Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against Prostaglandin G/H synthase 2 using osteosarcomes cells


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50110485
PNG
(5-(4-Chloro-phenyl)-3-[3-fluoro-5-(4-methoxy-tetra...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccc(Cl)cc3)n(n2)S(N)(=O)=O)c1
Show InChI InChI=1S/C22H23ClFN3O5S/c1-30-22(6-8-31-9-7-22)16-10-18(24)12-20(11-16)32-14-19-13-21(27(26-19)33(25,28)29)15-2-4-17(23)5-3-15/h2-5,10-13H,6-9,14H2,1H3,(H2,25,28,29)
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n/an/a 3.80E+4n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for prostaglandin E2 inhibition using recombinant Prostaglandin G/H synthase 1


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50110482
PNG
(1-(4-Methanesulfonyl-phenyl)-3-methyl-5-phenyl-1H-...)
Show SMILES Cc1cc(-c2ccccc2)n(n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H16N2O2S/c1-13-12-17(14-6-4-3-5-7-14)19(18-13)15-8-10-16(11-9-15)22(2,20)21/h3-12H,1-2H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against 5-lipoxygenase using granulocytes-type cells


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair